1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane

C12H21BrO2 — CID 106207232

IUPAC1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
SMILESCCCOC1C(Br)CC1OCCC1CC1
InChIInChI=1S/C12H21BrO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyVCEQGPSNKAJKFQ-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.13
Rot. Bonds7

About 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane

1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane (PubChem CID 106207232) has the molecular formula C12H21BrO2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane.

Molecular Properties

Compound Name1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
PubChem CID106207232
Molecular FormulaC12H21BrO2
Molecular Weight277.20 g/mol
Exact Mass276.07
IUPAC Name1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
SMILESCCCOC1C(Br)CC1OCCC1CC1
InChIInChI=1S/C12H21BrO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3
InChIKeyVCEQGPSNKAJKFQ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-ethoxy-2-propoxycyclobutane
CID 107942786
1-chloro-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
CID 106207219
3-(2-cyclopropylethoxy)-2-ethoxycyclobutan-1-ol
CID 106207193
4-(3-bromo-2-propoxycyclobutyl)oxy-1,2-dimethylcyclohexane
CID 107943018
1-bromo-3-(2-ethylhexoxy)-2-propoxycyclobutane
CID 107942855
1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
CID 104674096
3-(2-cyclopropylethoxy)-2-(2-methoxyethoxy)cyclobutan-1-ol
CID 106207201
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
2-propoxycyclopropan-1-ol
CID 174614862
1-(3-bromo-2-propoxycyclobutyl)oxy-3-chloro-2-fluorobenzene
CID 107943096
1-chloro-3-(cyclopropylmethoxy)-2-propoxycyclobutane
CID 107942832

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The IUPAC name of 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane (CID 106207232) is 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane.
What is the SMILES notation for 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The canonical SMILES for 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane is CCCOC1C(Br)CC1OCCC1CC1.
What is the InChIKey of 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
The InChIKey is VCEQGPSNKAJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2/c1-2-6-15-12-10(13)8-11(12)14-7-5-9-3-4-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane?
1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane has a molecular weight of 277.20 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane is sourced from PubChem (CID 106207232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).